4-[7-[6,7-bis(oxidanyl)naphthalen-2-yl]-7-oxidanylidene-heptoxy]-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-[7-[6,7-bis(oxidanyl)naphthalen-2-yl]-7-oxidanylidene-heptoxy]-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-[7-(6,7-dihydroxy-2-naphthyl)-7-oxo-heptoxy]-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-[7-(6,7-dihydroxy-2-naphthalenyl)-7-oxoheptoxy]-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-[7-(6,7-dihydroxynaphthalen-2-yl)-7-oxoheptoxy]-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-[7-(6,7-dihydroxy-2-naphthyl)-7-keto-heptoxy]-2-hydroxy-3-propyl-benzoic acid Formula: C27H30O7 MolecularWeight: 466.5229

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCCCCC(=O)C2=CC3=CC(=C(C=C3C=C2)O)O

InChI

InChI=1S/C27H30O7/c1-2-7-20-25(12-11-21(26(20)31)27(32)33)34-13-6-4-3-5-8-22(28)18-10-9-17-15-23(29)24(30)16-19(17)14-18/h9-12,14-16,29-31H,2-8,13H2,1H3,(H,32,33)